Focus Session: Novel Computational Algorithms I

Presentations

• Linear scaling techniques for the solution of the time-dependent Schr\"{o}dinger equation

  COFFEE_KLATCH · Invited

  March 13, 2006, 2:30 PM – March 13, 2006, 3:06 PM

  Authors

  • Suxing Hu

    • Los Alamos National Laboratory

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• Solution of the Time-Dependent Schroedinger Equation using a Real Space Product Finite Element Discrete Variable Representation (RSPFEDVR)

  ORAL

  March 13, 2006, 3:06 PM – March 13, 2006, 3:18 PM

  Authors

  • Barry Schneider

    • National Science Foundation

  • Lee Collins

  • Suxing Hu

    • Los Alamos National Laboratory

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• A Nonlinear Finite Difference Scheme for the Time-Dependent Schrodinger Equation

  ORAL

  March 13, 2006, 3:18 PM – March 13, 2006, 3:30 PM

  Authors

  • Ronald Mickens

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• Efficient Boundary Integral Method for Quantum Billiards

  ORAL

  March 13, 2006, 3:30 PM – March 13, 2006, 3:42 PM

  Authors

  • Harald G.L. Schwefel

    • Max Planck Research Group, Optics, Photonics \& Information, Erlangen, Germany

  • Hakan E. T\"ureci

    • Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT

  • A. Douglas Stone

    • Department of Applied Physics, Yale University, New Haven, CT

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• Quantum Computation for Quantum Chemistry

  COFFEE_KLATCH · Invited

  March 13, 2006, 3:42 PM – March 13, 2006, 4:18 PM

  Authors

  • Alan Aspuru-Guzik

    • UC Berkeley

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• The ``Inverse Band Structure ( IBS) Approach'' for designer nanostructures and designer impurities in semiconductors.

  ORAL

  March 13, 2006, 4:18 PM – March 13, 2006, 4:30 PM

  Authors

  • Alex Zunger

    • National Renewable Energy Laboratory
    • NREL

  • S. Dudiy

    • NREL

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• A Real-Space Genetic Algorithm for Crystal Structure Determination

  ORAL

  March 13, 2006, 4:30 PM – March 13, 2006, 4:42 PM

  Authors

  • Luke Abraham

  • Matt Probert

    • Dept of Physics, University of York, UK
    • University of York

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• Traveling the configurational space of binary alloys

  ORAL

  March 13, 2006, 4:42 PM – March 13, 2006, 4:54 PM

  Authors

  • G. Trimarchi

  • S. V. Barabash

  • A. Zunger

    • National Renewable Energy Lab., Golden CO 80401

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• Simulating Charged Systems with the Geometric Cluster Algorithm

  ORAL

  March 13, 2006, 4:54 PM – March 13, 2006, 5:06 PM

  Authors

  • Stephen Barr

  • Erik Luijten

    • University of Illinois at Urbana-Champaign

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• Multi-physics/scale simulations using particles

  ORAL

  March 13, 2006, 5:06 PM – March 13, 2006, 5:18 PM

  Authors

  • Petros Koumoutsakos

    • ETH Zurich
    • ETHZ

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• Algorithmic Refinements for Multicanonical System Measurements

  ORAL

  March 13, 2006, 5:18 PM – March 13, 2006, 5:30 PM

  Authors

  • David Yevick

    • University of Waterloo

  • Tao Lu

  • Derek Dumas

  • Michael Reimer

  • Witold Bardyszewski

  • Brett Hamilton

    • University of Waterloo

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